Dataset

Asiatic acid

This MassBank record with Accession MSBNK-BS-BS003821 contains the MS2 mass spectrum of Asiatic acid with the InChIkey JXSVIVRDWWRQRT-UYDOISQJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
SMILES C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChI Key JXSVIVRDWWRQRT-UYDOISQJSA-N
Molecular Formula C30H48O5
Exact Mass 488.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003821
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MetadataCreated 2024-01-11T12:35:26.871661
MetadataModified 2025-02-09T08:47:53.268475
MetadataPublished 2017-12-01
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